Element = Lattice = Model = Element: Zn
Lattice: hcp
Model: Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004
Computed model cutoff of 3.0499999976158345 Angstroms
Computed isolated atomic energy of 0.0 eV for species Zn

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.697914147283886, total energy = -5.319294697452196

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.697914157109335, total energy = -5.319294697452193

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.697914152406156, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.697914147132548, total energy = -5.319294697452194

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6979141483083393, total energy = -5.319294697452196

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.6979141522198944, total energy = -5.319294697452197

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.697914153710008, total energy = -5.319294697452197

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6979141470510513, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6979141563177134, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.6979141531512147, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.69791415669024, total energy = -5.319294697452194

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.697914148401469, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.6979141496121883, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6979141595977127, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.697914154431782, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.697914155037143, total energy = -5.319294697452195

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6979141544550647, total energy = -5.319294697452196

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -5.319295
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.697914150194265, total energy = -5.3192946974521975

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 3.5245402868322384 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.7001861591296796, c = 4.398343217148263, total energy = -5.3194968814093535

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 3.7448240547592535 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.7001861577594855, c = 4.398343196836111, total energy = -5.319496881409355

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 3.9651078226862686 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 2.7001861591558525, c = 4.398343182032795, total energy = -5.319496881409354

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 4.185391590613284 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.700186159952148, c = 4.398343191884137, total energy = -5.3194968814093535

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 4.405675358540298 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.7001861586171207, c = 4.398343209958515, total energy = -5.319496881409354

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 4.625959126467314 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.7001861604747606, c = 4.398343192754556, total energy = -5.3194968814093535

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 4.846242894394329 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.700186162675797, c = 4.398343188326436, total energy = -5.319496881409355

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 5.066526662321344 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.700186162311445, c = 4.398343206618124, total energy = -5.3194968814093535

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 5.286810430248359 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.557789
         Iterations: 83
         Function evaluations: 215
Results for this minimization:
  a = 2.602122739047087, c = 5.3827316221933685, total energy = -4.5577890715435645

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 2.7001861577594855 Angstroms, c = 4.398343196836111 Angstroms, c/a = 1.628904

 Total energy: -5.319496881409355 eV

 Cohesive energy: -1.3298742203523388 eV/atom

==============================================================================
==============================================================================